4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid

C13H20N2O3 — CID 114177024

IUPAC4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid
SMILESCC(C)(C)C(CCO)Nc1ccncc1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-13(2,3)11(5-7-16)15-10-4-6-14-8-9(10)12(17)18/h4,6,8,11,16H,5,7H2,1-3H3,(H,14,15)(H,17,18)
InChIKeyICCSYCBCICIDCA-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.99
Rot. Bonds5

About 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid

4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 114177024) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID114177024
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid
SMILESCC(C)(C)C(CCO)Nc1ccncc1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-13(2,3)11(5-7-16)15-10-4-6-14-8-9(10)12(17)18/h4,6,8,11,16H,5,7H2,1-3H3,(H,14,15)(H,17,18)
InChIKeyICCSYCBCICIDCA-UHFFFAOYSA-N
XLogP1.99
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethyl-4-hydroxybutyl)amino]pyridine-3-carboxylic acid
CID 81244416
4,4-dimethyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol
CID 114177080
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 83187293
4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid
CID 164651998
4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496
2-fluoro-6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzoic acid
CID 114177524
5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid
CID 106350408
4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid
CID 81243719
4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid
CID 114617444
4-(4-tert-butylanilino)pyridine-3-carboxylic acid
CID 81232443
4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid
CID 55269515

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid (CID 114177024) is 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid is CC(C)(C)C(CCO)Nc1ccncc1C(=O)O.
What is the InChIKey of 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is ICCSYCBCICIDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)11(5-7-16)15-10-4-6-14-8-9(10)12(17)18/h4,6,8,11,16H,5,7H2,1-3H3,(H,14,15)(H,17,18).
What are the key properties of 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid?
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114177024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).